1-(4-methylazepan-1-yl)ethanimine

C9H18N2 — CID 63626190

IUPAC1-(4-methylazepan-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCCC(C)CC1
InChIInChI=1S/C9H18N2/c1-8-4-3-6-11(7-5-8)9(2)10/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyGUCFSDVDUXEMAD-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds

About 1-(4-methylazepan-1-yl)ethanimine

1-(4-methylazepan-1-yl)ethanimine (PubChem CID 63626190) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(4-methylazepan-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methylazepan-1-yl)ethanimine
PubChem CID63626190
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(4-methylazepan-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCCC(C)CC1
InChIInChI=1S/C9H18N2/c1-8-4-3-6-11(7-5-8)9(2)10/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyGUCFSDVDUXEMAD-MDZDMXLPSA-N
XLogP2.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-methylazepan-1-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazepan-1-yl)ethanimine?
The IUPAC name of 1-(4-methylazepan-1-yl)ethanimine (CID 63626190) is 1-(4-methylazepan-1-yl)ethanimine.
What is the SMILES notation for 1-(4-methylazepan-1-yl)ethanimine?
The canonical SMILES for 1-(4-methylazepan-1-yl)ethanimine is [H]/N=C(\C)N1CCCC(C)CC1.
What is the InChIKey of 1-(4-methylazepan-1-yl)ethanimine?
The InChIKey is GUCFSDVDUXEMAD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-4-3-6-11(7-5-8)9(2)10/h8,10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 1-(4-methylazepan-1-yl)ethanimine?
1-(4-methylazepan-1-yl)ethanimine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazepan-1-yl)ethanimine is sourced from PubChem (CID 63626190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).